(6S)-2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid

C18H20N2O5 — CID 142755161

IUPAC(6S)-2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
SMILESCOc1cc2c(nc1OC)-c1cc(=O)c(C(=O)O)cn1[C@H](C(C)C)C2
InChIInChI=1S/C18H20N2O5/c1-9(2)12-5-10-6-15(24-3)17(25-4)19-16(10)13-7-14(21)11(18(22)23)8-20(12)13/h6-9,12H,5H2,1-4H3,(H,22,23)/t12-/m0/s1
InChIKeyGNRXVYQYCBVKET-LBPRGKRZSA-N
MW344.37 g/mol
LogP2.38
Rot. Bonds4

About (6S)-2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid

(6S)-2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid (PubChem CID 142755161) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is (6S)-2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid.

Molecular Properties

Compound Name(6S)-2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
PubChem CID142755161
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name(6S)-2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid
SMILESCOc1cc2c(nc1OC)-c1cc(=O)c(C(=O)O)cn1[C@H](C(C)C)C2
InChIInChI=1S/C18H20N2O5/c1-9(2)12-5-10-6-15(24-3)17(25-4)19-16(10)13-7-14(21)11(18(22)23)8-20(12)13/h6-9,12H,5H2,1-4H3,(H,22,23)/t12-/m0/s1
InChIKeyGNRXVYQYCBVKET-LBPRGKRZSA-N
XLogP2.38
TPSA90.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S)-2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The IUPAC name of (6S)-2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid (CID 142755161) is (6S)-2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid.
What is the SMILES notation for (6S)-2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The canonical SMILES for (6S)-2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid is COc1cc2c(nc1OC)-c1cc(=O)c(C(=O)O)cn1[C@H](C(C)C)C2.
What is the InChIKey of (6S)-2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
The InChIKey is GNRXVYQYCBVKET-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-9(2)12-5-10-6-15(24-3)17(25-4)19-16(10)13-7-14(21)11(18(22)23)8-20(12)13/h6-9,12H,5H2,1-4H3,(H,22,23)/t12-/m0/s1.
What are the key properties of (6S)-2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid?
(6S)-2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid has a molecular weight of 344.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,3-dimethoxy-10-oxo-6-propan-2-yl-5,6-dihydropyrido[1,2-h][1,7]naphthyridine-9-carboxylic acid is sourced from PubChem (CID 142755161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).